CID 164885287
6:2/8:2/10:2 tripap
Structural Information
- Molecular Formula
- C30H12F51O4P
- SMILES
- C(COP(=O)(OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C30H12F51O4P/c31-7(32,10(37,38)13(43,44)16(49,50)18(53,54)19(55,56)21(59,60)24(65,66)27(71,72)30(79,80)81)1-4-83-86(82,85-6-3-9(35,36)12(41,42)15(47,48)22(61,62)25(67,68)28(73,74)75)84-5-2-8(33,34)11(39,40)14(45,46)17(51,52)20(57,58)23(63,64)26(69,70)29(76,77)78/h1-6H2
- InChIKey
- IKFQXOFWHPWSHX-UHFFFAOYSA-N
- Compound name
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1436.9733 | 320.6 |
[M+Na]+ | 1458.9552 | 320.4 |
[M-H]- | 1434.9587 | 331.9 |
[M+NH4]+ | 1453.9998 | 328.2 |
[M+K]+ | 1474.9292 | 330.7 |
[M+H-H2O]+ | 1418.9633 | 311.5 |
[M+HCOO]- | 1480.9642 | 326.8 |
[M+CH3COO]- | 1494.9799 | 274.2 |
[M+Na-2H]- | 1456.9407 | 321.2 |
[M]+ | 1435.9655 | 309.0 |
[M]- | 1435.9665 | 309.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.